(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: (1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: (1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H21N4S+ MolecularWeight: 361.48324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C[NH2+]CCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C[NH2+]CCC4=CC=CC=N4

InChI

InChI=1S/C21H20N4S/c1-2-8-19(9-3-1)25-16-17(21(24-25)20-10-6-14-26-20)15-22-13-11-18-7-4-5-12-23-18/h1-10,12,14,16,22H,11,13,15H2/p+1